SCHEMBL3481514

SCHEMBL3481514

COc1ccc2cc(-c3cc4nc(Oc5ccc(Cl)c(C(=O)O)c5)[nH]c4cc3Cl)ccc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 16/20 0.75
▸ PRKAB1 Q9Y478 16/20 0.75
▸ PRKAA2 P54646 12/20 0.75
▸ PRKAA1 Q13131 11/20 0.66
▸ PRKAB2 O43741 5/20 0.66
▸ PRKAG3 Q9UGI9 5/20 0.66
▸ PRKAG2 Q9UGJ0 5/20 0.66
▸ TFDP2 Q14188 1/20 0.66
▸ PRSS12 P56730 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ ATM Q13315 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3481456 0.93 PRKAG1 (0.78) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481416 0.89 PRKAG1 (0.65) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481453 0.86 PRKAG1 (0.96) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13403023 0.85 PRKAG1 (0.85) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481008 0.85 PRKAB1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL29659650 0.85 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Ammonia Solution, Strong SCHEMBL3481326 0.85 PRKAG1 (0.84) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Ammonia Solution, Strong SCHEMBL3481330 0.85 PRKAG1 (0.84) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481210 0.85 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481220 0.84 PRKAG1 (0.81) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 — — US disclosed
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 — — US disclosed
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PRKAG1 2/4885PRKAB1 5/4885PRKAA2 12/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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